Numerous approaches have been developed recently to predict physicochemical properties using open-source programs such as OSIRIS Property Explorer and SwissADME. Recently in our laboratory, a library of polycyclic hydrocarbon sulfonamides have been synthesized and the in vitro biological activity was determined against a series of cell lines. In addition, an in silico assessment of the drug-likeness and physicochemical properties of the compounds was conducted using open-source programs. The results from a comparison of the in silico predictions to data experimentally obtained regarding the lipophilicity values (clogP) of the compounds will be presented and discussed.

Experimental determination of lipophilicity values of a library of polycylic hydrocarbon sulfonamides

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.